ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate

C16H20FNO3 — CID 19822515

IUPACethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)CC(=O)N1C(C)C
InChIInChI=1S/C16H20FNO3/c1-4-21-16(20)15-13(9-14(19)18(15)10(2)3)11-5-7-12(17)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyVWJAPLKSFWCGER-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.48
Rot. Bonds4

About ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate

ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 19822515) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID19822515
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Nameethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)CC(=O)N1C(C)C
InChIInChI=1S/C16H20FNO3/c1-4-21-16(20)15-13(9-14(19)18(15)10(2)3)11-5-7-12(17)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyVWJAPLKSFWCGER-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate (CID 19822515) is ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate is CCOC(=O)C1C(c2ccc(F)cc2)CC(=O)N1C(C)C.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is VWJAPLKSFWCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-4-21-16(20)15-13(9-14(19)18(15)10(2)3)11-5-7-12(17)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 19822515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).